BDBM869 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 31::tert-butyl N-[(1S,2S)-1-[(13R,16R)-12,15-dioxo-13-(propan-2-yl)-2,5,8-trioxa-11,14,17-triazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-16-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate

SMILES CC(C)C1NC(=O)[C@H](NCc2cccc(OCCOCCOCCNC1=O)c2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key InChIKey=DQRZWWANHBNSDX-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 869   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Sandoz Research Institute

LigandPNGBDBM869(tert-butyl N-[(1S,2S)-1-[(13R,16R)-12,15-dioxo-13-...)
Affinity DataKi:  208nM ΔG°:  -9.48kcal/molepH: 6.25 T: 2°CAssay Description:Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/6/2004
Entry Details Article
PubMed